* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    157    252     472
    1     0 S   NP   _N1_     1    29.09296    96.92580   -19.82444
    2     1 S   H    _HN1     2     1.02960    85.04165    40.25028
    3     1 S   H    _H1_     3     1.02830    43.42828   161.43698
    4     1 S   H    _H2_     4     1.02768    80.48500   -69.36846
    5     1 S   CT   _CA1     5     1.50174   154.00171   168.32086
    6     5 S   HC   _HA1     6     1.09579   105.14875    53.96529
    7     5 S   CO3  _C1_     7     1.53809   112.47714   -65.97394
    8     7 S   O2Z  _O11     8     1.26352   114.99892   -38.54561
    9     7 S   O2Z  _O12     9     1.26260   114.93117   140.43276
   10     5 S   CT   _CB1    10     1.53101   107.37769   171.79101
   11    10 S   HC   HB11    11     1.09812   109.19666   -50.23249
   12    10 S   HC   HB12    12     1.09814   110.42143    66.27158
   13    10 S   CT   _CG1    13     1.52975   112.76503  -171.43730
   14    13 S   HC   HG11    14     1.09430   110.29848   -64.28332
   15    13 S   HC   HG12    15     1.09649   110.11119    54.69108
   16    13 S   C    _CD1    16     1.51818   112.39439   174.57527
   17    16 S   O    _OE1    17     1.22738   123.16366   -13.27754
   18    16 S   N    _N2_    18     1.38591   111.75690   168.27756
   19    18 S   H    _HN2    19     1.01622   119.01339    -1.69824
   20    18 S   CT1  _CA2    20     1.46193   123.42433   177.64582
   21    20 S   HC   _HA2    21     1.09711   109.47185   -14.30320
   22    20 S   C    _C2_    22     1.53464   107.79355  -130.05519
   23    22 S   O    _O2_    23     1.23055   122.36004  -143.92787
   24    20 S   CT   _CB2    32     1.53239   111.72267   108.28154
   25    24 S   HC   HB21    33     1.09552   109.52551    53.91144
   26    24 S   HC   HB22    34     1.09481   110.30004   172.76608
   27    22 S   N    _N3_    24     1.38493   113.42916    42.83174
   28    27 S   H    _HN3    25     1.01527   118.97080     0.09487
   29    24 S   S    _SG2    35     1.82676   112.53610   -66.97255
   30    27 S   CT   _CA3    26     1.45414   123.23502   176.06040
   31    30 S   HC   HA31    27     1.09546   109.02303    28.46917
   32    30 S   HC   HA32    28     1.09492   107.17910   145.37651
   33    29 S   CT   _C10    36     1.84162    98.89256   170.63078
   34    33 S   HC   _H3_    37     1.09309   106.14660   -37.14593
   35    30 S   CO3  _C3_    29     1.52914   113.19249   -94.90358
   36    35 S   O2Z  _O31    30     1.26399   115.41383   -45.31683
   37    35 S   O2Z  _O32    31     1.26358   114.96576   135.61506
   38    33 S   CA   _C9_    38     1.51897   111.24431    80.13482
   39    33 S   CT   _C11    50     1.54003   111.04429  -154.51752
   40    39 S   HC   _H13    51     1.09712   110.43984  -177.88363
   41    39 S   HC   _H14    52     1.09853   109.71598   -61.52688
   42    38 S   CA   _C4_    39     1.40506   119.55557  -113.48873
   43    42 S   HA   _H9_    40     1.08763   120.44147     0.04846
   44    39 S   CO4  _C12    53     1.52443   116.46792    59.29256
   45    44 S   O    _O33    54     1.23064   121.19968  -142.68014
   46    42 S   CA   _C5_    41     1.39580   120.78321   179.93147
   47    46 S   HA   _H10    42     1.08624   119.85338  -179.96044
   48    44 S   CA   _C13    55     1.48362   120.81642    37.07340
   49    46 S   CA   _C6_    43     1.39063   119.63359    -0.00000
   50    48 S   CA   _C14    56     1.40081   119.38637  -131.49565
   51    49 S   CA   _C7_    44     1.39175   120.70359    -0.02798
   52    51 S   HA   _H11    45     1.08602   120.99574  -179.87489
   53    49 S   OH   _O42    48     1.36607   118.20945  -180.00000
   54    53 S   HO   _H25    49     0.97238   108.57382   179.93147
   55    50 S   CA   _C15    57     1.39449   120.48550   177.42215
   56    55 S   HA   _H15    58     1.08748   119.97648  -179.57572
   57    50 S   OH   _O41    88     1.36885   123.07283    -1.42519
   58    57 S   HO   _H24    89     0.97312   109.19977   -10.41805
   59    38 S   CA   _C8_    46     1.40515   121.92106    66.39388
   60    59 S   HA   _H12    47     1.08733   120.54592    -0.27625
   61    55 S   CA   _C16    59     1.39536   120.06699    -0.65192
   62    61 S   CA   _C17    60     1.39601   119.94607     3.22646
   63    62 S   HA   _H16    61     1.08522   120.72112   176.40550
   64    61 S   OS   _O35    65     1.36952   115.98090  -179.35229
   65    48 S   CA   _C18    62     1.39894   121.63411    48.53271
   66    64 S   CO   _C19    66     1.44043   115.13121   137.70325
   67    66 S   HC   _H4_    67     1.09753   109.21396    66.41554
   68    65 S   OH   _O34    63     1.36853   119.96614     4.07905
   69    68 S   HO   _H17    64     0.97251   109.08866   179.06980
   70    66 S   CT   _C20    68     1.53611   106.68914  -175.63103
   71    70 S   HC   _H5_    69     1.09689   109.90895    52.72335
   72    70 S   CT   _C21    70     1.53071   111.35674   174.69208
   73    72 S   HC   _H6_    71     1.09667   110.25738    73.46356
   74    70 S   OH   _O40    86     1.42953   109.94151   -63.91501
   75    74 S   HO   _H23    87     0.97221   108.30186   -62.87923
   76    72 S   CT   _C22    72     1.53113   111.32892   -49.20187
   77    76 S   HC   _H7_    73     1.09706   109.07758   -71.21529
   78    72 S   OH   _O39    84     1.42932   109.63985  -170.65919
   79    78 S   HO   _H22    85     0.97245   108.16780    60.54120
   80    76 S   CT   _C23    74     1.53208   110.64183    50.04469
   81    80 S   HC   _H8_    75     1.09823   111.00366    64.20078
   82    76 S   OH   _O38    82     1.42594   109.66661   171.93150
   83    82 S   HO   _H21    83     0.97250   108.25825   -57.88834
   84    66 S   OS   _O36    76     1.43128   111.42466   -55.98808
   85    80 S   CT   _C24    77     1.52997   111.39575  -174.89977
   86    85 S   HC   _H18    78     1.09497   110.85866    70.14138
   87    85 S   HC   _H19    79     1.09384   111.68217   -52.21859
   88    85 S   OH   _O37    80     1.42495   109.08300  -171.16300
   89    88 S   HO   _H20    81     0.97438   106.72651  -175.49137
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   9   4   3   8   4   8   3   7   3  11
   6   9   5   3   2   1   9   4   3   1   1   1   9   6   3   9
   2  13   6   1   1  12   7  13   7   4   1  12   7   3   1   9
   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    59    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    51    59    60    39    40    41    44    45    48  
   38    42    59    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    51    52    59    60    39    40    41    44  
   40    41    44    45    48    50    65    42    59  
   41    44    45    48  
   44    45    48  
   43    46    47    49    51    59    60    53  
   46    47    49    59  
   45    48    50    55    62    65    68    57  
   48    50    65  
   47    49    51    52    59    53    54  
   49    51    53  
   50    55    56    61    62    63    65    68    69    57    58  
   51    52    59    60    53    54  
   55    56    61    62    65    68    64    57    58  
   52    59    60    53    54  
   59    60    53  
   54    59  
    0  
   56    61    62    63    65    64    66    57    58  
   61    62    64    57  
   58    61    65  
    0  
   60  
    0  
   62    63    65    68    64    66    67    70    84  
   63    65    68    69    64    66  
   65    68    64  
   66    67    70    71    72    80    84    74    65  
   68    69  
   67    70    71    72    73    76    80    81    84    85    78    74    75  
   70    71    72    80    84    74  
   69  
    0  
   71    72    73    76    77    80    84    82    78    79    74    75  
   72    73    76    84    78    74    75  
   73    76    77    80    81    84    85    82    83    78    79    74    75  
   76    77    80    82    78    79    74  
   75    76    78    84  
    0  
   77    80    81    84    85    86    87    88    82    83    78    79  
   80    81    84    85    82    83    78  
   79    80    82  
    0  
   81    84    85    86    87    88    89    82    83  
   84    85    86    87    88    82  
   83    84    85  
    0  
   85    86    87    88  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    59   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   51    59   469.000  1.400
   59    60   367.000  1.080
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   310.000  1.470
   48    50   469.000  1.400
   48    65   469.000  1.400
   50    55   469.000  1.400
   50    57   450.000  1.364
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    68   450.000  1.364
   68    69   553.000  0.945
   64    66   320.000  1.380
   66    67   340.000  1.090
   66    70   250.000  1.527
   66    84   320.000  1.380
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   320.000  1.410
   76    77   340.000  1.090
   76    80   268.000  1.529
   76    82   320.000  1.410
   80    81   340.000  1.090
   80    84   320.000  1.410
   80    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   553.000  0.945
   82    83   553.000  0.945
   78    79   553.000  0.945
   74    75   553.000  0.945
   57    58   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    59    51    63.00000  120.00000
   38    59    60    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    51    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    59    63.00000  120.00000
   49    53    54    35.00000  113.00000
   51    59    60    35.00000  120.00000
   59    38    42    63.00000  120.00000
   59    51    52    35.00000  120.00000
   53    49    51    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    65.00000  115.47100
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    60.00000  119.52600
   44    48    65    60.00000  119.52600
   48    44    45    75.00000  123.78400
   48    50    55    63.00000  120.00000
   48    50    57    70.00000  120.00000
   48    65    62    63.00000  120.00000
   48    65    68    70.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    61    63.00000  120.00000
   50    57    58    35.00000  113.00000
   55    61    62    63.00000  120.00000
   55    61    64    70.00000  120.00000
   61    55    56    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    65    63.00000  120.00000
   61    64    66   100.00000  112.36700
   62    65    68    70.00000  120.00000
   65    48    50    63.00000  120.00000
   65    62    63    35.00000  120.00000
   65    68    69    35.00000  113.00000
   64    61    62    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    70    90.00000  108.56700
   64    66    84    92.60000  111.55000
   66    70    71    45.00000  108.72000
   66    70    72    75.00000  109.43000
   66    70    74    90.00000  111.58700
   66    84    80    60.00000  109.50000
   70    66    67    45.00000  112.01100
   70    72    73    37.50000  110.70000
   70    72    76    58.35000  112.70000
   70    72    78    50.00000  109.50000
   70    74    75    55.00000  108.50000
   72    70    71    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    58.35000  112.70000
   72    76    82    50.00000  109.50000
   72    78    79    55.00000  108.50000
   76    72    73    37.50000  110.70000
   76    80    81    37.50000  110.70000
   76    80    84    50.00000  109.50000
   76    80    85    58.35000  112.70000
   76    82    83    55.00000  108.50000
   80    76    77    37.50000  110.70000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    88    50.00000  109.50000
   84    66    67    35.00000  109.50000
   84    66    70    90.00000  108.56700
   84    80    81    35.00000  109.50000
   85    80    81    37.50000  110.70000
   85    80    84    50.00000  109.50000
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   82    76    77    35.00000  109.50000
   82    76    80    50.00000  109.50000
   78    72    73    35.00000  109.50000
   78    72    76    50.00000  109.50000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   57    50    55    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    59    51   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.05850 -1.0 2.0
   33    39    44    48   0.17250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    59    51   3.62500 -1.0 2.0
   42    38    59    60   3.62500 -1.0 2.0
   42    46   -49    51   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    51    52   3.62500 -1.0 2.0
   46    49    51    59   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    51   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    51   -59    38   3.62500 -1.0 2.0
   49    51    59    60   3.62500 -1.0 2.0
   51    49    53    54   0.84100 -1.0 2.0
   52    51    59    38   3.62500 -1.0 2.0
   52    51    59    60   3.62500 -1.0 2.0
   59    38    42    43   3.62500 -1.0 2.0
   59    38   -42    46   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    49    51    59   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    59   0.04150 -1.0 2.0
   39    44    48    50   2.26350  1.0 1.0
   39    44    48    50   0.76750 -1.0 2.0
   39    44    48    50   0.22500  1.0 3.0
   39    44    48    65   2.26350  1.0 1.0
   39    44    48    65   0.76750 -1.0 2.0
   39    44    48    65   0.22500  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    55   3.62500 -1.0 2.0
   44    48    50    57   3.62500 -1.0 2.0
   44    48    65    62   3.62500 -1.0 2.0
   44    48    65    68   3.62500 -1.0 2.0
   45    44    48    50   1.05000 -1.0 2.0
   45    44    48    65   1.05000 -1.0 2.0
   48    50    55    56   3.62500 -1.0 2.0
   48    50    55    61   3.62500 -1.0 2.0
   48    50    57    58   0.84100 -1.0 2.0
   48    65    68    69   0.84100 -1.0 2.0
   50    48    65    62   3.62500 -1.0 2.0
   50    48    65    68   3.62500 -1.0 2.0
   50    55   -61    62   3.62500 -1.0 2.0
   50    55    61    64   3.62500 -1.0 2.0
   55    50    57    58   0.84100 -1.0 2.0
   55    61    62    63   3.62500 -1.0 2.0
   55    61    62    65   3.62500 -1.0 2.0
   55    61    64    66   1.63200 -1.0 2.0
   56    55    61    62   3.62500 -1.0 2.0
   56    55    61    64   3.62500 -1.0 2.0
   61    62   -65    48   3.62500 -1.0 2.0
   61    62    65    68   3.62500 -1.0 2.0
   61    64    66    67   0.08050  1.0 3.0
   61    64    66    70  -0.32850  1.0 1.0
   61    64    66    70  -0.35800 -1.0 2.0
   61    64    66    70   0.33950  1.0 3.0
   61    64    66    84  -0.25600  1.0 1.0
   61    64    66    84  -0.40050 -1.0 2.0
   61    64    66    84   0.34700  1.0 3.0
   62    61    64    66   1.63200 -1.0 2.0
   62    65    68    69   0.84100 -1.0 2.0
   63    62    65    48   3.62500 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   65    48   -50    55   3.62500 -1.0 2.0
   65    48    50    57   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    65   3.62500 -1.0 2.0
   64    66    70    71   0.23400  1.0 3.0
   64    66    70    72   0.62750  1.0 1.0
   64    66    70    72  -0.30950 -1.0 2.0
   64    66    70    72   0.27300  1.0 3.0
   64    66    70    74   3.69350  1.0 1.0
   64    66    70    74  -1.82950 -1.0 2.0
   64    66    84    80  -0.81800  1.0 1.0
   66    70    72    73   0.15000  1.0 3.0
   66    70    72    76   3.97050  1.0 1.0
   66    70    72    78   0.86500  1.0 1.0
   66    70    72    78  -0.17500 -1.0 2.0
   66    70    72    78   0.20800  1.0 3.0
   66    70    74    75  -0.11600  1.0 1.0
   66    70    74    75  -0.09450 -1.0 2.0
   66    70    74    75   0.21250  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    84    80   0.37050  1.0 3.0
   70    66    84    80   0.06250  1.0 1.0
   70    66    84    80  -0.01100 -1.0 2.0
   70    66    84    80   0.28050  1.0 3.0
   70    72    76    77   0.15000  1.0 3.0
   70    72   -76    80   0.56750  1.0 1.0
   70    72   -76    80  -0.07550 -1.0 2.0
   70    72   -76    80   0.20000  1.0 3.0
   70    72    76    82   0.86500  1.0 1.0
   70    72    76    82  -0.17500 -1.0 2.0
   70    72    76    82   0.20800  1.0 3.0
   70    72    78    79  -0.11600  1.0 1.0
   70    72    78    79  -0.09450 -1.0 2.0
   70    72    78    79   0.21250  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    76   0.15000  1.0 3.0
   71    70    72    78   0.23400  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    70    74    75  -0.11600  1.0 1.0
   72    70    74    75  -0.09450 -1.0 2.0
   72    70    74    75   0.21250  1.0 3.0
   72    76    80    81   0.15000  1.0 3.0
   72    76    80    84   0.62750  1.0 1.0
   72    76    80    84  -0.30950 -1.0 2.0
   72    76    80    84   0.27300  1.0 3.0
   72    76    80    85   0.56750  1.0 1.0
   72    76    80    85  -0.07550 -1.0 2.0
   72    76    80    85   0.20000  1.0 3.0
   72    76    82    83  -0.11600  1.0 1.0
   72    76    82    83  -0.09450 -1.0 2.0
   72    76    82    83   0.21250  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.15000  1.0 3.0
   73    72    76    82   0.23400  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79  -0.11600  1.0 1.0
   76    72    78    79  -0.09450 -1.0 2.0
   76    72    78    79   0.21250  1.0 3.0
   76    80   -84    66   0.06250  1.0 1.0
   76    80   -84    66  -0.01100 -1.0 2.0
   76    80   -84    66   0.28050  1.0 3.0
   76    80    85    86   0.15000  1.0 3.0
   76    80    85    87   0.15000  1.0 3.0
   76    80    85    88   0.86500  1.0 1.0
   76    80    85    88  -0.17500 -1.0 2.0
   76    80    85    88   0.20800  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    84   0.23400  1.0 3.0
   77    76    80    85   0.15000  1.0 3.0
   77    76    82    83   0.19450  1.0 3.0
   80    76    82    83  -0.11600  1.0 1.0
   80    76    82    83  -0.09450 -1.0 2.0
   80    76    82    83   0.21250  1.0 3.0
   80    85    88    89  -0.11600  1.0 1.0
   80    85    88    89  -0.09450 -1.0 2.0
   80    85    88    89   0.21250  1.0 3.0
   81    80    84    66   0.37050  1.0 3.0
   81    80    85    86   0.15000  1.0 3.0
   81    80    85    87   0.15000  1.0 3.0
   81    80    85    88   0.23400  1.0 3.0
   84    66    70    71   0.23400  1.0 3.0
   84    66   -70    72   0.62750  1.0 1.0
   84    66   -70    72  -0.30950 -1.0 2.0
   84    66   -70    72   0.27300  1.0 3.0
   84    66    70    74   3.69350  1.0 1.0
   84    66    70    74  -1.82950 -1.0 2.0
   84    80    85    86   0.23400  1.0 3.0
   84    80    85    87   0.23400  1.0 3.0
   84    80    85    88   3.69350  1.0 1.0
   84    80    85    88  -1.82950 -1.0 2.0
   85    80    84    66   0.06250  1.0 1.0
   85    80    84    66  -0.01100 -1.0 2.0
   85    80    84    66   0.28050  1.0 3.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
   82    76    80    81   0.23400  1.0 3.0
   82    76    80    84   3.69350  1.0 1.0
   82    76    80    84  -1.82950 -1.0 2.0
   82    76    80    85   0.86500  1.0 1.0
   82    76    80    85  -0.17500 -1.0 2.0
   82    76    80    85   0.20800  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   0.86500  1.0 1.0
   78    72    76    80  -0.17500 -1.0 2.0
   78    72    76    80   0.20800  1.0 3.0
   78    72    76    82   3.75450  1.0 1.0
   74    70    72    73   0.23400  1.0 3.0
   74    70    72    76   0.86500  1.0 1.0
   74    70    72    76  -0.17500 -1.0 2.0
   74    70    72    76   0.20800  1.0 3.0
   74    70    72    78   3.75450  1.0 1.0
   57    50    55    56   3.62500 -1.0 2.0
   57    50    55    61   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    59    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   51    53    49    46   4.00000 -1.0 2.0
   59    52    51    49   1.10000 -1.0 2.0
   51    60    59    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   50    65    48    44   4.00000 -1.0 2.0
   55    57    50    48   4.00000 -1.0 2.0
   61    56    55    50   1.10000 -1.0 2.0
   62    64    61    55   4.00000 -1.0 2.0
   65    63    62    61   1.10000 -1.0 2.0
   62    68    65    48   4.00000 -1.0 2.0
END
